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1003587-71-0 | 5H-Pyrido[2,3-d]azepine, 2-chloro-6,7,8,9-tetrahydro-
CAS No: 1003587-71-0 Catalog No: AG0001OZ MDL No:MFCD11518946
Product Description
Catalog Number:
AG0001OZ
Chemical Name:
5H-Pyrido[2,3-d]azepine, 2-chloro-6,7,8,9-tetrahydro-
CAS Number:
1003587-71-0
Molecular Formula:
C9H11ClN2
Molecular Weight:
182.6500
MDL Number:
MFCD11518946
IUPAC Name:
2-chloro-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine
InChI:
InChI=1S/C9H11ClN2/c10-9-2-1-7-3-5-11-6-4-8(7)12-9/h1-2,11H,3-6H2
InChI Key:
YJXAQEUSLQZWLO-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(n1)CCNCC2
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.061g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.651g/mol
Monoisotopic Mass:
182.061g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
24.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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